EINECS 223-456-4
TL;DR: EINECS 223-456-4 (CAS 3901-17-5) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropyl-(4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)methanone
Also Known As: 3-(Cyclopropylcarbonyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol, 2-Cyclopropylcarbonyl-5,9-dimethyl-2'-hydroxy-6,7-benzomorphan, 3- -1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol, cyclopropyl(4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl)methanone, 10-cyclopropanecarbonyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 3901-17-5 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2C(=O)C4CC4)C)C=C(C=C3)O |
| InChIKey | IMYFCLLEKFFDDC-UHFFFAOYSA-N |
Product Overview
EINECS 223-456-4 (CAS 3901-17-5), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: cyclopropyl-(4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)methanone.
Chemical Property Profile of EINECS 223-456-4
Property Insights of EINECS 223-456-4
The XLogP value of 3.1 indicates that EINECS 223-456-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, EINECS 223-456-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 223-456-4 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 223-456-4?
The CAS number of EINECS 223-456-4 is 3901-17-5.
What is the molecular formula of EINECS 223-456-4?
The molecular formula of EINECS 223-456-4 is C18H23NO2.
What is the molecular weight of EINECS 223-456-4?
The molecular weight of EINECS 223-456-4 is 285.17 g/mol.
Where can I buy EINECS 223-456-4?
You can request a quote for EINECS 223-456-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 223-456-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 223-456-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.